COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL493406
Chemical Name: 1-{4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propan-1-one
Smiles: O=C(N1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)CC(n1cccc1)c1ccsc1

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Molecular Weight: 447.58
Empirical Formula: C20H25N5O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.778
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 127
Number of rings: 4

     

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